COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807505
Chemical Name: methyl4-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 413.5
Empirical Formula: C21H23N3O4S

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 2.741
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 4

     

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